Structure of PDB 6x6u Chain C Binding Site BS04

Receptor Information

>6x6u Chain C (length=623) Species: 1185654 (Pyrococcus furiosus COM1)

MYAYNGKLLDVDLTREKVKEVELSEDVLKKFYGGRGLGTYILWKELGEKW
EKVDPLGEENLLLILTGPLTGYYPGMKTSIVSKSPESNGVVGSVLSSELG
LELKAAGYDGIIIRGKAKSPVYLFIHNDTVEIRDATKYWGMGGIELYKTL
LKEVHEEIRKKEKLKGVPKEPAMIYIGKGGENKVRFAAIMTKLMHAAGYG
GYGAVMGSKNLKAVIAKGSGPLPEVYDKEKMKVLLREFWKELFSMTTFRE
WGTGAGGYSVGHDRSSEPIRNWQEEYHDNEEISVVNFENRTWIKKYWADY
GCPVNCMKISYLRYGPYKGSISDAPDYELQAYMGTNLGIFEPEKIVYLSY
LVDELGLDGINTGNILGFAAELYQRGILTKEDLGFELNWGDEKAFAKLLH
LIVEKEGIGKILAEGTYRAALKISEIKGIDVTKYAVHVKGIAVGAHGIRS
ELDYTKDISYAVSVQGGDHTSTAALPAKGYTGELVEAFYDSAVICNFVTK
PGFEKIIEFGNALSGFNITPEQWLNEIGLRIIHLQRILLLLGGPDVYWDP
RKDDDNPPRFYEPLPSGPVKGKAPNREDIKAKVKQYYEEIGYDEHGIPKE
EVLEELGIGEAKREVKRIKKRLN

Ligand information

• Ligand ID: PO4
• InChI: InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
• InChIKey: NBIIXXVUZAFLBC-UHFFFAOYSA-K
• SMILES:
  CACTVS 3.341: [O-][P]([O-])([O-])=O
  ACDLabs 10.04: [O-]P([O-])([O-])=O
  OpenEye OEToolkits 1.5.0: [O-]P(=O)([O-])[O-]
• Formula: O4 P
• Name: PHOSPHATE ION
• DrugBank: DB14523
• PDB chain: 6x6u Chain C Residue 708

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6x6u An unprecedented function for a tungsten-containing oxidoreductase.
• Resolution: 1.944 Å
• Binding residue (original residue number in PDB): R249 Y296
• Binding residue (residue number reindexed from 1): R249 Y296
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 1.2.7.5: aldehyde ferredoxin oxidoreductase.

Gene Ontology

Molecular Function

• GO:0009055 electron transfer activity
• GO:0016491 oxidoreductase activity
• GO:0016625 oxidoreductase activity, acting on the aldehyde or oxo group of donors, iron-sulfur protein as acceptor
• GO:0046872 metal ion binding
• GO:0051536 iron-sulfur cluster binding
• GO:0051539 4 iron, 4 sulfur cluster binding

External links

• PDB: RCSB:6x6u, PDBe:6x6u, PDBj:6x6u
• PDBsum: 6x6u
• PubMed: 36269456
• UniProt: I6V2C3